SCHEMBL22659309

SCHEMBL22659309

Cn1nccc1NC(=O)c1ccc2cc(Br)cnc2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.63
▸ MAP3K5 Q99683 1/20 0.48
▸ MAPK14 Q16539 4/20 0.45
▸ LCK P06239 1/20 0.45
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ MAOB P27338 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22659037 0.83 HPGDS (0.60) HPGDSMAPK14LCKKMT2AMEN1
SCHEMBL22658991 0.81 BRAF (0.50) HPGDSMAP3K5MAPK14
SCHEMBL22659088 0.80 MAP3K5 (0.45) HPGDSMAP3K5MAPK14KMT2AMEN1
SCHEMBL22659356 0.79 NTRK1 (0.51) MAP3K5RAB9A
SCHEMBL22659107 0.77 MAP3K5 (0.49) HPGDSMAP3K5KMT2AMEN1NPC1
SCHEMBL20741513 0.77 RAB9A (0.53) HPGDSKMT2AMEN1NPC1RAB9A
SCHEMBL25255029 0.72 HTT (0.52) HPGDSMAP3K5LCKMAPK1
SCHEMBL30617764 0.72 HTT (0.52) HPGDSMAP3K5LCKMAPK1
SCHEMBL24571339 0.71 HPGDS (0.46) HPGDSDYRK1AWNT1GSK3B
SCHEMBL3767339 0.71 RAB9A (0.51) HPGDSMAPK14LCKKMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 — — EP disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 HPGDS 29/4885MAP3K5 1871/4885MAPK14 2425/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 HPGDS 29/4885MAP3K5 1871/4885MAPK14 2425/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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